(2S)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-methyl-2-(1-pyrrolyl)-5-thiazolyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(4-methyl-2-pyrrol-1-yl-thiazole-5-carbonyl)amino]-3-phenyl-propionic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N2C=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17N3O3S/c1-12-15(25-18(19-12)21-9-5-6-10-21)16(22)20-14(17(23)24)11-13-7-3-2-4-8-13/h2-10,14H,11H2,1H3,(H,20,22)(H,23,24)/t14-/m0/s1